Study : jhp_1201 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C2_S1
Best Complexes choosen after comparative docking [pKd > 3] : 5 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C2_S1
Complex: FA0_A_6(4N5V) / Model_13(4N5V/A) = [3.1] Download603.439.45MKDILNALYHQKDLNDEEVKKLFTLIIDEKVSPAQLGAVLCALKIKGESFKEISVAATTLLEHAPKPFNSGLDLIDNCGTGGDGLKTINISTIAALIASSMGLSMAKHGSRSVSSHSGSADLLENLGVNIEMNPMQLENCFKQSHFGFLFAPLYHQSFKKSAPLRKELFTKTIFNCLGPLINPLRPKIQLLGVYDKSLCKTMALALKALGVKRAMVVNGGGTDEIVLHDITHACELKNNEILEYDLSAKDFDLPPYDLKELQIENAKESVQACLDILENKGKDSHTMVVAANVASLLYLSHRAKDLKEGVSMTLEHLKTKAPYAHLQKIIRLSHA
Complex: 6M1_A_5(4N93) / Model_15(4N93/A) = [3.2] Download635.319.32MKDILNALYHQKDLNDEEVKKLFTLIIDEKVSPAQLGAVLCALKIKGESFKEISVAATTLLEHAPKPFNSGLDLIDNCGTGGDGLKTINISTIAALIASSMGLSMAKHGSRSVSSHSGSADLLENLGVNIEMNPMQLENCFKQSHFGFLFAPLYHQSFKKSAPLRKELFTKTIFNCLGPLINPLRPKIQLLGVYDKSLCKTMALALKALGVKRAMVVNGGGTDEIVLHDITHACELKNNEILEYDLSAKDFDLPPYDLKELQIENAKESVQACLDILENKGKDSHTMVVAANVASLLYLSHRAKDLKEGVSMTLEHLKTKAPYAHLQKIIRLSHA
Complex: GOL_C_12(2ELC) / Model_35(2ELC/C) = [3.3] Download413.84-12.75MKDILNALYHQKDLNDEEVKKLFTLIIDEKVSPAQLGAVLCALKIKGESFKEISVAATTLLEHAPKPFNSGLDLIDNCGTGGDGLKTINISTIAALIASSMGLSMAKHGSRSVSSHSGSADLLENLGVNIEMNPMQLENCFKQSHFGFLFAPLYHQSFKKSAPLRKELFTKTIFNCLGPLINPLRPKIQLLGVYDKSLCKTMALALKALGVKRAMVVNGGGTDEIVLHDITHACELKNNEILEYDLSAKDFDLPPYDLKELQIENAKESVQACLDILENKGKDSHTMVVAANVASLLYLSHRAKDLKEGVSMTLEHLKTKAPYAHLQKIIRLSHA
Complex: PRP_B_6(3GBR) / Model_37(3GBR/B) = [3.4] Download1351.10-5.84MKDILNALYHQKDLNDEEVKKLFTLIIDEKVSPAQLGAVLCALKIKGESFKEISVAATTLLEHAPKPFNSGLDLIDNCGTGGDGLKTINISTIAALIASSMGLSMAKHGSRSVSSHSGSADLLENLGVNIEMNPMQLENCFKQSHFGFLFAPLYHQSFKKSAPLRKELFTKTIFNCLGPLINPLRPKIQLLGVYDKSLCKTMALALKALGVKRAMVVNGGGTDEIVLHDITHACELKNNEILEYDLSAKDFDLPPYDLKELQIENAKESVQACLDILENKGKDSHTMVVAANVASLLYLSHRAKDLKEGVSMTLEHLKTKAPYAHLQKIIRLSHA
Complex: GOL_D_13(2ELC) / Model_34(2ELC/D) = [3.4] Download342.15-12.75MKDILNALYHQKDLNDEEVKKLFTLIIDEKVSPAQLGAVLCALKIKGESFKEISVAATTLLEHAPKPFNSGLDLIDNCGTGGDGLKTINISTIAALIASSMGLSMAKHGSRSVSSHSGSADLLENLGVNIEMNPMQLENCFKQSHFGFLFAPLYHQSFKKSAPLRKELFTKTIFNCLGPLINPLRPKIQLLGVYDKSLCKTMALALKALGVKRAMVVNGGGTDEIVLHDITHACELKNNEILEYDLSAKDFDLPPYDLKELQIENAKESVQACLDILENKGKDSHTMVVAANVASLLYLSHRAKDLKEGVSMTLEHLKTKAPYAHLQKIIRLSHA
Consensus
[pKd Mean = 3.28]
-669
(s=358)
-2
(s=10)
MKDILNALYHQKDLNDEEVKKLFTLIIDEKVSPAQLGAVLCALKIKGESFKEISVAATTLLEHAPKPFNSGLDLIDNCGTGGDGLKTINISTIAALIASSMGLSMAKHGSRSVSSHSGSADLLENLGVNIEMNPMQLENCFKQSHFGFLFAPLYHQSFKKSAPLRKELFTKTIFNCLGPLINPLRPKIQLLGVYDKSLCKTMALALKALGVKRAMVVNGGGTDEIVLHDITHACELKNNEILEYDLSAKDFDLPPYDLKELQIENAKESVQACLDILENKGKDSHTMVVAANVASLLYLSHRAKDLKEGVSMTLEHLKTKAPYAHLQKIIRLSHA